1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

C22H24ClN3O — CID 18889304

IUPAC1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)CCn1c(C2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21
InChIInChI=1S/C22H24ClN3O/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-22(25)16-13-21(27)26(14-16)19-9-5-3-7-17(19)23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyHNUXIEBPVAMYKD-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.26
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889304) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889304
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)CCn1c(C2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21
InChIInChI=1S/C22H24ClN3O/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-22(25)16-13-21(27)26(14-16)19-9-5-3-7-17(19)23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyHNUXIEBPVAMYKD-UHFFFAOYSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
1-(2-ethylphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 90485860
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 40698692
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4S)-1-(2-chlorophenyl)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775493
(4S)-1-(2-chlorophenyl)-4-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813469
(4S)-1-(2-chlorophenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 29347150
4-[1-[3-(2-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889265
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889307
1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889248
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889304) is 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CC(C)CCn1c(C2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HNUXIEBPVAMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15(2)11-12-25-20-10-6-4-8-18(20)24-22(25)16-13-21(27)26(14-16)19-9-5-3-7-17(19)23/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 381.91 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).